


<!DOCTYPE html>
<!--[if IE 8]><html class="no-js lt-ie9" lang="en" > <![endif]-->
<!--[if gt IE 8]><!--> <html class="no-js" lang="en" > <!--<![endif]-->
<head>
  <meta charset="utf-8">
  
  <meta name="viewport" content="width=device-width, initial-scale=1.0">
  
  <title>Index &mdash; DScribe 0.2.9 documentation</title>
  

  
  
  
  

  
  <script type="text/javascript" src="_static/js/modernizr.min.js"></script>
  
    
      <script type="text/javascript" id="documentation_options" data-url_root="./" src="_static/documentation_options.js"></script>
        <script type="text/javascript" src="_static/jquery.js"></script>
        <script type="text/javascript" src="_static/underscore.js"></script>
        <script type="text/javascript" src="_static/doctools.js"></script>
        <script type="text/javascript" src="_static/language_data.js"></script>
        <script async="async" type="text/javascript" src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.5/latest.js?config=TeX-AMS-MML_HTMLorMML"></script>
    
    <script type="text/javascript" src="_static/js/theme.js"></script>

    

  
  <link rel="stylesheet" href="_static/css/theme.css" type="text/css" />
  <link rel="stylesheet" href="_static/pygments.css" type="text/css" />
  <link rel="stylesheet" href="_static/css/style.css" type="text/css" />
    <link rel="author" title="About these documents" href="about.html" />
    <link rel="index" title="Index" href="#" />
    <link rel="search" title="Search" href="search.html" /> 
</head>

<body class="wy-body-for-nav">

   
  <div class="wy-grid-for-nav">
    
    <nav data-toggle="wy-nav-shift" class="wy-nav-side">
      <div class="wy-side-scroll">
        <div class="wy-side-nav-search" >
          

          
            <a href="index.html">
          

          
            
            <img src="_static/logo.png" class="logo" alt="Logo"/>
          
          </a>

          
            
            
              <div class="version">
                0.2.9
              </div>
            
          

          
<div role="search">
  <form id="rtd-search-form" class="wy-form" action="search.html" method="get">
    <input type="text" name="q" placeholder="Search docs" />
    <input type="hidden" name="check_keywords" value="yes" />
    <input type="hidden" name="area" value="default" />
  </form>
</div>

          
        </div>

        <div class="wy-menu wy-menu-vertical" data-spy="affix" role="navigation" aria-label="main navigation">
          
            
            
              
            
            
              <ul>
<li class="toctree-l1"><a class="reference internal" href="install.html">Installation</a></li>
<li class="toctree-l1"><a class="reference internal" href="tutorials/tutorials.html">Tutorials</a></li>
<li class="toctree-l1"><a class="reference internal" href="doc/modules.html">Documentation</a></li>
<li class="toctree-l1"><a class="reference internal" href="contributing.html">Contributing</a></li>
<li class="toctree-l1"><a class="reference internal" href="citing.html">Citing DScribe</a></li>
<li class="toctree-l1"><a class="reference internal" href="about.html">About</a></li>
</ul>

            
          
        </div>
      </div>
    </nav>

    <section data-toggle="wy-nav-shift" class="wy-nav-content-wrap">

      
      <nav class="wy-nav-top" aria-label="top navigation">
        
          <i data-toggle="wy-nav-top" class="fa fa-bars"></i>
          <a href="index.html">DScribe</a>
        
      </nav>


      <div class="wy-nav-content">
        
        <div class="rst-content">
        
          















<div role="navigation" aria-label="breadcrumbs navigation">

  <ul class="wy-breadcrumbs">
    
      <li><a href="index.html">Docs</a> &raquo;</li>
        
      <li>Index</li>
    
    
      <li class="wy-breadcrumbs-aside">
        
            
        
      </li>
    
  </ul>

  
  <hr/>
</div>
          <div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
           <div itemprop="articleBody">
            

<h1 id="index">Index</h1>

<div class="genindex-jumpbox">
 <a href="#_"><strong>_</strong></a>
 | <a href="#A"><strong>A</strong></a>
 | <a href="#B"><strong>B</strong></a>
 | <a href="#C"><strong>C</strong></a>
 | <a href="#D"><strong>D</strong></a>
 | <a href="#E"><strong>E</strong></a>
 | <a href="#F"><strong>F</strong></a>
 | <a href="#G"><strong>G</strong></a>
 | <a href="#I"><strong>I</strong></a>
 | <a href="#K"><strong>K</strong></a>
 | <a href="#L"><strong>L</strong></a>
 | <a href="#M"><strong>M</strong></a>
 | <a href="#N"><strong>N</strong></a>
 | <a href="#R"><strong>R</strong></a>
 | <a href="#S"><strong>S</strong></a>
 | <a href="#T"><strong>T</strong></a>
 | <a href="#V"><strong>V</strong></a>
 | <a href="#Z"><strong>Z</strong></a>
 
</div>
<h2 id="_">_</h2>
<table style="width: 100%" class="indextable genindextable"><tr>
  <td style="width: 33%; vertical-align: top;"><ul>
      <li><a href="tutorials/acsf.html#dscribe.descriptors.acsf.ACSF.__init__">__init__() (dscribe.descriptors.acsf.ACSF method)</a>

      <ul>
        <li><a href="tutorials/coulomb_matrix.html#dscribe.descriptors.coulombmatrix.CoulombMatrix.__init__">(dscribe.descriptors.coulombmatrix.CoulombMatrix method)</a>
</li>
        <li><a href="tutorials/ewald_sum_matrix.html#dscribe.descriptors.ewaldsummatrix.EwaldSumMatrix.__init__">(dscribe.descriptors.ewaldsummatrix.EwaldSumMatrix method)</a>
</li>
        <li><a href="tutorials/lmbtr.html#dscribe.descriptors.lmbtr.LMBTR.__init__">(dscribe.descriptors.lmbtr.LMBTR method)</a>
</li>
        <li><a href="tutorials/mbtr.html#dscribe.descriptors.mbtr.MBTR.__init__">(dscribe.descriptors.mbtr.MBTR method)</a>
</li>
        <li><a href="tutorials/sine_matrix.html#dscribe.descriptors.sinematrix.SineMatrix.__init__">(dscribe.descriptors.sinematrix.SineMatrix method)</a>
</li>
        <li><a href="tutorials/soap.html#dscribe.descriptors.soap.SOAP.__init__">(dscribe.descriptors.soap.SOAP method)</a>
</li>
      </ul></li>
  </ul></td>
</tr></table>

<h2 id="A">A</h2>
<table style="width: 100%" class="indextable genindextable"><tr>
  <td style="width: 33%; vertical-align: top;"><ul>
      <li><a href="doc/dscribe.core.html#dscribe.core.lattice.Lattice.abc">abc() (dscribe.core.lattice.Lattice property)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.acsf.ACSF">ACSF (class in dscribe.descriptors.acsf)</a>
</li>
      <li><a href="doc/dscribe.libacsf.html#dscribe.libacsf.acsfwrapper.ACSFWrapper">ACSFWrapper (class in dscribe.libacsf.acsfwrapper)</a>
</li>
  </ul></td>
  <td style="width: 33%; vertical-align: top;"><ul>
      <li><a href="doc/dscribe.core.html#dscribe.core.lattice.Lattice.alpha">alpha() (dscribe.core.lattice.Lattice property)</a>
</li>
      <li><a href="doc/dscribe.core.html#dscribe.core.lattice.Lattice.angles">angles() (dscribe.core.lattice.Lattice property)</a>
</li>
      <li><a href="doc/dscribe.libacsf.html#dscribe.libacsf.acsfwrapper.ACSFWrapper.atomic_numbers">atomic_numbers (dscribe.libacsf.acsfwrapper.ACSFWrapper attribute)</a>
</li>
      <li><a href="doc/dscribe.kernels.html#dscribe.kernels.averagekernel.AverageKernel">AverageKernel (class in dscribe.kernels.averagekernel)</a>
</li>
  </ul></td>
</tr></table>

<h2 id="B">B</h2>
<table style="width: 100%" class="indextable genindextable"><tr>
  <td style="width: 33%; vertical-align: top;"><ul>
      <li><a href="doc/dscribe.core.html#dscribe.core.lattice.Lattice.beta">beta() (dscribe.core.lattice.Lattice property)</a>
</li>
  </ul></td>
</tr></table>

<h2 id="C">C</h2>
<table style="width: 100%" class="indextable genindextable"><tr>
  <td style="width: 33%; vertical-align: top;"><ul>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.descriptor.Descriptor.check_atomic_numbers">check_atomic_numbers() (dscribe.descriptors.descriptor.Descriptor method)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.mbtr.MBTR.check_grid">check_grid() (dscribe.descriptors.mbtr.MBTR method)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.coulombmatrix.CoulombMatrix">CoulombMatrix (class in dscribe.descriptors.coulombmatrix)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.acsf.ACSF.create">create() (dscribe.descriptors.acsf.ACSF method)</a>, <a href="tutorials/acsf.html#dscribe.descriptors.acsf.ACSF.create">[1]</a>

      <ul>
        <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.coulombmatrix.CoulombMatrix.create">(dscribe.descriptors.coulombmatrix.CoulombMatrix method)</a>, <a href="tutorials/coulomb_matrix.html#dscribe.descriptors.coulombmatrix.CoulombMatrix.create">[1]</a>
</li>
        <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.descriptor.Descriptor.create">(dscribe.descriptors.descriptor.Descriptor method)</a>
</li>
        <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.elementaldistribution.ElementalDistribution.create">(dscribe.descriptors.elementaldistribution.ElementalDistribution method)</a>
</li>
        <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.ewaldsummatrix.EwaldSumMatrix.create">(dscribe.descriptors.ewaldsummatrix.EwaldSumMatrix method)</a>, <a href="tutorials/ewald_sum_matrix.html#dscribe.descriptors.ewaldsummatrix.EwaldSumMatrix.create">[1]</a>
</li>
        <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.lmbtr.LMBTR.create">(dscribe.descriptors.lmbtr.LMBTR method)</a>, <a href="tutorials/lmbtr.html#dscribe.descriptors.lmbtr.LMBTR.create">[1]</a>
</li>
        <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.mbtr.MBTR.create">(dscribe.descriptors.mbtr.MBTR method)</a>, <a href="tutorials/mbtr.html#dscribe.descriptors.mbtr.MBTR.create">[1]</a>
</li>
        <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.sinematrix.SineMatrix.create">(dscribe.descriptors.sinematrix.SineMatrix method)</a>, <a href="tutorials/sine_matrix.html#dscribe.descriptors.sinematrix.SineMatrix.create">[1]</a>
</li>
        <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.soap.SOAP.create">(dscribe.descriptors.soap.SOAP method)</a>, <a href="tutorials/soap.html#dscribe.descriptors.soap.SOAP.create">[1]</a>
</li>
        <li><a href="doc/dscribe.kernels.html#dscribe.kernels.localsimilaritykernel.LocalSimilarityKernel.create">(dscribe.kernels.localsimilaritykernel.LocalSimilarityKernel method)</a>
</li>
        <li><a href="doc/dscribe.libacsf.html#dscribe.libacsf.acsfwrapper.ACSFWrapper.create">(dscribe.libacsf.acsfwrapper.ACSFWrapper method)</a>
</li>
      </ul></li>
  </ul></td>
  <td style="width: 33%; vertical-align: top;"><ul>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.descriptor.Descriptor.create_parallel">create_parallel() (dscribe.descriptors.descriptor.Descriptor method)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.acsf.ACSF.create_single">create_single() (dscribe.descriptors.acsf.ACSF method)</a>

      <ul>
        <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.ewaldsummatrix.EwaldSumMatrix.create_single">(dscribe.descriptors.ewaldsummatrix.EwaldSumMatrix method)</a>
</li>
        <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.lmbtr.LMBTR.create_single">(dscribe.descriptors.lmbtr.LMBTR method)</a>
</li>
        <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.matrixdescriptor.MatrixDescriptor.create_single">(dscribe.descriptors.matrixdescriptor.MatrixDescriptor method)</a>
</li>
        <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.mbtr.MBTR.create_single">(dscribe.descriptors.mbtr.MBTR method)</a>
</li>
        <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.soap.SOAP.create_single">(dscribe.descriptors.soap.SOAP method)</a>
</li>
      </ul></li>
  </ul></td>
</tr></table>

<h2 id="D">D</h2>
<table style="width: 100%" class="indextable genindextable"><tr>
  <td style="width: 33%; vertical-align: top;"><ul>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.descriptor.Descriptor">Descriptor (class in dscribe.descriptors.descriptor)</a>
</li>
      <li><a href="doc/dscribe.html#module-dscribe">dscribe (module)</a>
</li>
      <li><a href="doc/dscribe.core.html#module-dscribe.core">dscribe.core (module)</a>
</li>
      <li><a href="doc/dscribe.core.html#module-dscribe.core.lattice">dscribe.core.lattice (module)</a>
</li>
      <li><a href="doc/dscribe.core.html#module-dscribe.core.system">dscribe.core.system (module)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#module-dscribe.descriptors">dscribe.descriptors (module)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#module-dscribe.descriptors.acsf">dscribe.descriptors.acsf (module)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#module-dscribe.descriptors.coulombmatrix">dscribe.descriptors.coulombmatrix (module)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#module-dscribe.descriptors.descriptor">dscribe.descriptors.descriptor (module)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#module-dscribe.descriptors.elementaldistribution">dscribe.descriptors.elementaldistribution (module)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#module-dscribe.descriptors.ewaldsummatrix">dscribe.descriptors.ewaldsummatrix (module)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#module-dscribe.descriptors.lmbtr">dscribe.descriptors.lmbtr (module)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#module-dscribe.descriptors.matrixdescriptor">dscribe.descriptors.matrixdescriptor (module)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#module-dscribe.descriptors.mbtr">dscribe.descriptors.mbtr (module)</a>
</li>
  </ul></td>
  <td style="width: 33%; vertical-align: top;"><ul>
      <li><a href="doc/dscribe.descriptors.html#module-dscribe.descriptors.sinematrix">dscribe.descriptors.sinematrix (module)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#module-dscribe.descriptors.soap">dscribe.descriptors.soap (module)</a>
</li>
      <li><a href="doc/dscribe.kernels.html#module-dscribe.kernels">dscribe.kernels (module)</a>
</li>
      <li><a href="doc/dscribe.kernels.html#module-dscribe.kernels.averagekernel">dscribe.kernels.averagekernel (module)</a>
</li>
      <li><a href="doc/dscribe.kernels.html#module-dscribe.kernels.localsimilaritykernel">dscribe.kernels.localsimilaritykernel (module)</a>
</li>
      <li><a href="doc/dscribe.kernels.html#module-dscribe.kernels.rematchkernel">dscribe.kernels.rematchkernel (module)</a>
</li>
      <li><a href="doc/dscribe.libacsf.html#module-dscribe.libacsf">dscribe.libacsf (module)</a>
</li>
      <li><a href="doc/dscribe.libacsf.html#module-dscribe.libacsf.acsfwrapper">dscribe.libacsf.acsfwrapper (module)</a>
</li>
      <li><a href="doc/dscribe.libmbtr.html#module-dscribe.libmbtr">dscribe.libmbtr (module)</a>
</li>
      <li><a href="doc/dscribe.libmbtr.html#module-dscribe.libmbtr.mbtrwrapper">dscribe.libmbtr.mbtrwrapper (module)</a>
</li>
      <li><a href="doc/dscribe.utils.html#module-dscribe.utils">dscribe.utils (module)</a>
</li>
      <li><a href="doc/dscribe.utils.html#module-dscribe.utils.geometry">dscribe.utils.geometry (module)</a>
</li>
      <li><a href="doc/dscribe.utils.html#module-dscribe.utils.species">dscribe.utils.species (module)</a>
</li>
      <li><a href="doc/dscribe.utils.html#module-dscribe.utils.stats">dscribe.utils.stats (module)</a>
</li>
  </ul></td>
</tr></table>

<h2 id="E">E</h2>
<table style="width: 100%" class="indextable genindextable"><tr>
  <td style="width: 33%; vertical-align: top;"><ul>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.elementaldistribution.ElementalDistribution">ElementalDistribution (class in dscribe.descriptors.elementaldistribution)</a>
</li>
  </ul></td>
  <td style="width: 33%; vertical-align: top;"><ul>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.ewaldsummatrix.EwaldSumMatrix">EwaldSumMatrix (class in dscribe.descriptors.ewaldsummatrix)</a>
</li>
  </ul></td>
</tr></table>

<h2 id="F">F</h2>
<table style="width: 100%" class="indextable genindextable"><tr>
  <td style="width: 33%; vertical-align: top;"><ul>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.descriptor.Descriptor.flatten">flatten() (dscribe.descriptors.descriptor.Descriptor property)</a>
</li>
  </ul></td>
  <td style="width: 33%; vertical-align: top;"><ul>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.soap.SOAP.flatten_positions">flatten_positions() (dscribe.descriptors.soap.SOAP method)</a>
</li>
      <li><a href="doc/dscribe.core.html#dscribe.core.system.System.from_atoms">from_atoms() (dscribe.core.system.System static method)</a>
</li>
  </ul></td>
</tr></table>

<h2 id="G">G</h2>
<table style="width: 100%" class="indextable genindextable"><tr>
  <td style="width: 33%; vertical-align: top;"><ul>
      <li><a href="doc/dscribe.libacsf.html#dscribe.libacsf.acsfwrapper.ACSFWrapper.g2_params">g2_params (dscribe.libacsf.acsfwrapper.ACSFWrapper attribute)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.acsf.ACSF.g2_params">g2_params() (dscribe.descriptors.acsf.ACSF property)</a>
</li>
      <li><a href="doc/dscribe.libacsf.html#dscribe.libacsf.acsfwrapper.ACSFWrapper.g3_params">g3_params (dscribe.libacsf.acsfwrapper.ACSFWrapper attribute)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.acsf.ACSF.g3_params">g3_params() (dscribe.descriptors.acsf.ACSF property)</a>
</li>
      <li><a href="doc/dscribe.libacsf.html#dscribe.libacsf.acsfwrapper.ACSFWrapper.g4_params">g4_params (dscribe.libacsf.acsfwrapper.ACSFWrapper attribute)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.acsf.ACSF.g4_params">g4_params() (dscribe.descriptors.acsf.ACSF property)</a>
</li>
      <li><a href="doc/dscribe.libacsf.html#dscribe.libacsf.acsfwrapper.ACSFWrapper.g5_params">g5_params (dscribe.libacsf.acsfwrapper.ACSFWrapper attribute)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.acsf.ACSF.g5_params">g5_params() (dscribe.descriptors.acsf.ACSF property)</a>
</li>
      <li><a href="doc/dscribe.core.html#dscribe.core.lattice.Lattice.gamma">gamma() (dscribe.core.lattice.Lattice property)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.elementaldistribution.ElementalDistribution.gaussian_sum">gaussian_sum() (dscribe.descriptors.elementaldistribution.ElementalDistribution method)</a>
</li>
      <li><a href="doc/dscribe.utils.html#dscribe.utils.geometry.get_adjacency_list">get_adjacency_list() (in module dscribe.utils.geometry)</a>
</li>
      <li><a href="doc/dscribe.utils.html#dscribe.utils.geometry.get_adjacency_matrix">get_adjacency_matrix() (in module dscribe.utils.geometry)</a>
</li>
      <li><a href="doc/dscribe.utils.html#dscribe.utils.species.get_atomic_numbers">get_atomic_numbers() (in module dscribe.utils.species)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.elementaldistribution.ElementalDistribution.get_axis">get_axis() (dscribe.descriptors.elementaldistribution.ElementalDistribution method)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.soap.SOAP.get_basis_gto">get_basis_gto() (dscribe.descriptors.soap.SOAP method)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.soap.SOAP.get_basis_poly">get_basis_poly() (dscribe.descriptors.soap.SOAP method)</a>
</li>
      <li><a href="doc/dscribe.core.html#dscribe.core.lattice.Lattice.get_cartesian_coords">get_cartesian_coords() (dscribe.core.lattice.Lattice method)</a>
</li>
      <li><a href="doc/dscribe.core.html#dscribe.core.system.System.get_cell_inverse">get_cell_inverse() (dscribe.core.system.System method)</a>
</li>
      <li><a href="doc/dscribe.core.html#dscribe.core.system.System.get_displacement_tensor">get_displacement_tensor() (dscribe.core.system.System method)</a>
</li>
      <li><a href="doc/dscribe.core.html#dscribe.core.system.System.get_distance_matrix">get_distance_matrix() (dscribe.core.system.System method)</a>
</li>
      <li><a href="doc/dscribe.core.html#dscribe.core.system.System.get_distance_matrix_within_radius">get_distance_matrix_within_radius() (dscribe.core.system.System method)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.matrixdescriptor.MatrixDescriptor.get_eigenspectrum">get_eigenspectrum() (dscribe.descriptors.matrixdescriptor.MatrixDescriptor method)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.elementaldistribution.ElementalDistribution.get_element_occurrence">get_element_occurrence() (dscribe.descriptors.elementaldistribution.ElementalDistribution method)</a>
</li>
      <li><a href="doc/dscribe.utils.html#dscribe.utils.geometry.get_extended_system">get_extended_system() (in module dscribe.utils.geometry)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.soap.SOAP.get_flattened_index">get_flattened_index() (dscribe.descriptors.soap.SOAP method)</a>
</li>
      <li><a href="doc/dscribe.core.html#dscribe.core.lattice.Lattice.get_fractional_coords">get_fractional_coords() (dscribe.core.lattice.Lattice method)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.soap.SOAP.get_full_space_output">get_full_space_output() (dscribe.descriptors.soap.SOAP method)</a>
</li>
      <li><a href="doc/dscribe.kernels.html#dscribe.kernels.averagekernel.AverageKernel.get_global_similarity">get_global_similarity() (dscribe.kernels.averagekernel.AverageKernel method)</a>

      <ul>
        <li><a href="doc/dscribe.kernels.html#dscribe.kernels.localsimilaritykernel.LocalSimilarityKernel.get_global_similarity">(dscribe.kernels.localsimilaritykernel.LocalSimilarityKernel method)</a>
</li>
        <li><a href="doc/dscribe.kernels.html#dscribe.kernels.rematchkernel.REMatchKernel.get_global_similarity">(dscribe.kernels.rematchkernel.REMatchKernel method)</a>
</li>
      </ul></li>
  </ul></td>
  <td style="width: 33%; vertical-align: top;"><ul>
      <li><a href="doc/dscribe.core.html#dscribe.core.system.System.get_inverse_distance_matrix">get_inverse_distance_matrix() (dscribe.core.system.System method)</a>
</li>
      <li><a href="doc/dscribe.libmbtr.html#dscribe.libmbtr.mbtrwrapper.MBTRWrapper.get_k1">get_k1() (dscribe.libmbtr.mbtrwrapper.MBTRWrapper method)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.mbtr.MBTR.get_k1_axis">get_k1_axis() (dscribe.descriptors.mbtr.MBTR method)</a>
</li>
      <li><a href="doc/dscribe.libmbtr.html#dscribe.libmbtr.mbtrwrapper.MBTRWrapper.get_k2">get_k2() (dscribe.libmbtr.mbtrwrapper.MBTRWrapper method)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.mbtr.MBTR.get_k2_axis">get_k2_axis() (dscribe.descriptors.mbtr.MBTR method)</a>
</li>
      <li><a href="doc/dscribe.libmbtr.html#dscribe.libmbtr.mbtrwrapper.MBTRWrapper.get_k2_local">get_k2_local() (dscribe.libmbtr.mbtrwrapper.MBTRWrapper method)</a>
</li>
      <li><a href="doc/dscribe.libmbtr.html#dscribe.libmbtr.mbtrwrapper.MBTRWrapper.get_k3">get_k3() (dscribe.libmbtr.mbtrwrapper.MBTRWrapper method)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.mbtr.MBTR.get_k3_axis">get_k3_axis() (dscribe.descriptors.mbtr.MBTR method)</a>
</li>
      <li><a href="doc/dscribe.libmbtr.html#dscribe.libmbtr.mbtrwrapper.MBTRWrapper.get_k3_local">get_k3_local() (dscribe.libmbtr.mbtrwrapper.MBTRWrapper method)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.lmbtr.LMBTR.get_location">get_location() (dscribe.descriptors.lmbtr.LMBTR method)</a>

      <ul>
        <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.mbtr.MBTR.get_location">(dscribe.descriptors.mbtr.MBTR method)</a>
</li>
      </ul></li>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.coulombmatrix.CoulombMatrix.get_matrix">get_matrix() (dscribe.descriptors.coulombmatrix.CoulombMatrix method)</a>

      <ul>
        <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.ewaldsummatrix.EwaldSumMatrix.get_matrix">(dscribe.descriptors.ewaldsummatrix.EwaldSumMatrix method)</a>
</li>
        <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.matrixdescriptor.MatrixDescriptor.get_matrix">(dscribe.descriptors.matrixdescriptor.MatrixDescriptor method)</a>
</li>
        <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.sinematrix.SineMatrix.get_matrix">(dscribe.descriptors.sinematrix.SineMatrix method)</a>
</li>
      </ul></li>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.soap.SOAP.get_number_of_element_features">get_number_of_element_features() (dscribe.descriptors.soap.SOAP method)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.acsf.ACSF.get_number_of_features">get_number_of_features() (dscribe.descriptors.acsf.ACSF method)</a>

      <ul>
        <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.descriptor.Descriptor.get_number_of_features">(dscribe.descriptors.descriptor.Descriptor method)</a>
</li>
        <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.elementaldistribution.ElementalDistribution.get_number_of_features">(dscribe.descriptors.elementaldistribution.ElementalDistribution method)</a>
</li>
        <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.lmbtr.LMBTR.get_number_of_features">(dscribe.descriptors.lmbtr.LMBTR method)</a>
</li>
        <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.matrixdescriptor.MatrixDescriptor.get_number_of_features">(dscribe.descriptors.matrixdescriptor.MatrixDescriptor method)</a>
</li>
        <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.mbtr.MBTR.get_number_of_features">(dscribe.descriptors.mbtr.MBTR method)</a>
</li>
        <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.soap.SOAP.get_number_of_features">(dscribe.descriptors.soap.SOAP method)</a>
</li>
      </ul></li>
      <li><a href="doc/dscribe.kernels.html#dscribe.kernels.localsimilaritykernel.LocalSimilarityKernel.get_pairwise_matrix">get_pairwise_matrix() (dscribe.kernels.localsimilaritykernel.LocalSimilarityKernel method)</a>
</li>
      <li><a href="doc/dscribe.core.html#dscribe.core.lattice.Lattice.get_points_in_sphere">get_points_in_sphere() (dscribe.core.lattice.Lattice method)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.soap.SOAP.get_soap_locals_gto">get_soap_locals_gto() (dscribe.descriptors.soap.SOAP method)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.soap.SOAP.get_soap_locals_poly">get_soap_locals_poly() (dscribe.descriptors.soap.SOAP method)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.soap.SOAP.get_sub_to_full_map">get_sub_to_full_map() (dscribe.descriptors.soap.SOAP method)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.descriptor.Descriptor.get_system">get_system() (dscribe.descriptors.descriptor.Descriptor method)</a>
</li>
  </ul></td>
</tr></table>

<h2 id="I">I</h2>
<table style="width: 100%" class="indextable genindextable"><tr>
  <td style="width: 33%; vertical-align: top;"><ul>
      <li><a href="doc/dscribe.core.html#dscribe.core.lattice.Lattice.inv_matrix">inv_matrix() (dscribe.core.lattice.Lattice property)</a>
</li>
  </ul></td>
</tr></table>

<h2 id="K">K</h2>
<table style="width: 100%" class="indextable genindextable"><tr>
  <td style="width: 33%; vertical-align: top;"><ul>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.mbtr.MBTR.k1">k1() (dscribe.descriptors.mbtr.MBTR property)</a>
</li>
  </ul></td>
  <td style="width: 33%; vertical-align: top;"><ul>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.mbtr.MBTR.k2">k2() (dscribe.descriptors.mbtr.MBTR property)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.mbtr.MBTR.k3">k3() (dscribe.descriptors.mbtr.MBTR property)</a>
</li>
  </ul></td>
</tr></table>

<h2 id="L">L</h2>
<table style="width: 100%" class="indextable genindextable"><tr>
  <td style="width: 33%; vertical-align: top;"><ul>
      <li><a href="doc/dscribe.core.html#dscribe.core.lattice.Lattice">Lattice (class in dscribe.core.lattice)</a>
</li>
      <li><a href="doc/dscribe.core.html#dscribe.core.lattice.Lattice.lengths">lengths() (dscribe.core.lattice.Lattice property)</a>
</li>
  </ul></td>
  <td style="width: 33%; vertical-align: top;"><ul>
      <li><a href="doc/dscribe.core.html#dscribe.core.lattice.Lattice.lengths_and_angles">lengths_and_angles() (dscribe.core.lattice.Lattice property)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.lmbtr.LMBTR">LMBTR (class in dscribe.descriptors.lmbtr)</a>
</li>
      <li><a href="doc/dscribe.kernels.html#dscribe.kernels.localsimilaritykernel.LocalSimilarityKernel">LocalSimilarityKernel (class in dscribe.kernels.localsimilaritykernel)</a>
</li>
  </ul></td>
</tr></table>

<h2 id="M">M</h2>
<table style="width: 100%" class="indextable genindextable"><tr>
  <td style="width: 33%; vertical-align: top;"><ul>
      <li><a href="doc/dscribe.core.html#dscribe.core.lattice.Lattice.matrix">matrix() (dscribe.core.lattice.Lattice property)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.matrixdescriptor.MatrixDescriptor">MatrixDescriptor (class in dscribe.descriptors.matrixdescriptor)</a>
</li>
  </ul></td>
  <td style="width: 33%; vertical-align: top;"><ul>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.mbtr.MBTR">MBTR (class in dscribe.descriptors.mbtr)</a>
</li>
      <li><a href="doc/dscribe.libmbtr.html#dscribe.libmbtr.mbtrwrapper.MBTRWrapper">MBTRWrapper (class in dscribe.libmbtr.mbtrwrapper)</a>
</li>
  </ul></td>
</tr></table>

<h2 id="N">N</h2>
<table style="width: 100%" class="indextable genindextable"><tr>
  <td style="width: 33%; vertical-align: top;"><ul>
      <li><a href="doc/dscribe.libacsf.html#dscribe.libacsf.acsfwrapper.ACSFWrapper.n_g2">n_g2 (dscribe.libacsf.acsfwrapper.ACSFWrapper attribute)</a>
</li>
      <li><a href="doc/dscribe.libacsf.html#dscribe.libacsf.acsfwrapper.ACSFWrapper.n_g3">n_g3 (dscribe.libacsf.acsfwrapper.ACSFWrapper attribute)</a>
</li>
      <li><a href="doc/dscribe.libacsf.html#dscribe.libacsf.acsfwrapper.ACSFWrapper.n_g4">n_g4 (dscribe.libacsf.acsfwrapper.ACSFWrapper attribute)</a>
</li>
      <li><a href="doc/dscribe.libacsf.html#dscribe.libacsf.acsfwrapper.ACSFWrapper.n_g5">n_g5 (dscribe.libacsf.acsfwrapper.ACSFWrapper attribute)</a>
</li>
  </ul></td>
  <td style="width: 33%; vertical-align: top;"><ul>
      <li><a href="doc/dscribe.libacsf.html#dscribe.libacsf.acsfwrapper.ACSFWrapper.n_type_pairs">n_type_pairs (dscribe.libacsf.acsfwrapper.ACSFWrapper attribute)</a>
</li>
      <li><a href="doc/dscribe.libacsf.html#dscribe.libacsf.acsfwrapper.ACSFWrapper.n_types">n_types (dscribe.libacsf.acsfwrapper.ACSFWrapper attribute)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.lmbtr.LMBTR.normalization">normalization() (dscribe.descriptors.lmbtr.LMBTR property)</a>

      <ul>
        <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.mbtr.MBTR.normalization">(dscribe.descriptors.mbtr.MBTR property)</a>
</li>
      </ul></li>
  </ul></td>
</tr></table>

<h2 id="R">R</h2>
<table style="width: 100%" class="indextable genindextable"><tr>
  <td style="width: 33%; vertical-align: top;"><ul>
      <li><a href="doc/dscribe.libacsf.html#dscribe.libacsf.acsfwrapper.ACSFWrapper.rcut">rcut (dscribe.libacsf.acsfwrapper.ACSFWrapper attribute)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.acsf.ACSF.rcut">rcut() (dscribe.descriptors.acsf.ACSF property)</a>
</li>
      <li><a href="doc/dscribe.libacsf.html#dscribe.libacsf.acsfwrapper.rebuild">rebuild() (in module dscribe.libacsf.acsfwrapper)</a>
</li>
  </ul></td>
  <td style="width: 33%; vertical-align: top;"><ul>
      <li><a href="doc/dscribe.core.html#dscribe.core.lattice.Lattice.reciprocal_lattice">reciprocal_lattice() (dscribe.core.lattice.Lattice property)</a>
</li>
      <li><a href="doc/dscribe.core.html#dscribe.core.lattice.Lattice.reciprocal_lattice_crystallographic">reciprocal_lattice_crystallographic() (dscribe.core.lattice.Lattice property)</a>
</li>
      <li><a href="doc/dscribe.kernels.html#dscribe.kernels.rematchkernel.REMatchKernel">REMatchKernel (class in dscribe.kernels.rematchkernel)</a>
</li>
  </ul></td>
</tr></table>

<h2 id="S">S</h2>
<table style="width: 100%" class="indextable genindextable"><tr>
  <td style="width: 33%; vertical-align: top;"><ul>
      <li><a href="doc/dscribe.core.html#dscribe.core.system.System.set_cell">set_cell() (dscribe.core.system.System method)</a>
</li>
      <li><a href="doc/dscribe.core.html#dscribe.core.system.System.set_pbc">set_pbc() (dscribe.core.system.System method)</a>
</li>
      <li><a href="doc/dscribe.core.html#dscribe.core.system.System.set_positions">set_positions() (dscribe.core.system.System method)</a>
</li>
      <li><a href="doc/dscribe.core.html#dscribe.core.system.System.set_scaled_positions">set_scaled_positions() (dscribe.core.system.System method)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.sinematrix.SineMatrix">SineMatrix (class in dscribe.descriptors.sinematrix)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.soap.SOAP">SOAP (class in dscribe.descriptors.soap)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.matrixdescriptor.MatrixDescriptor.sort">sort() (dscribe.descriptors.matrixdescriptor.MatrixDescriptor method)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.matrixdescriptor.MatrixDescriptor.sort_randomly">sort_randomly() (dscribe.descriptors.matrixdescriptor.MatrixDescriptor method)</a>
</li>
  </ul></td>
  <td style="width: 33%; vertical-align: top;"><ul>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.descriptor.Descriptor.sparse">sparse() (dscribe.descriptors.descriptor.Descriptor property)</a>
</li>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.acsf.ACSF.species">species() (dscribe.descriptors.acsf.ACSF property)</a>

      <ul>
        <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.lmbtr.LMBTR.species">(dscribe.descriptors.lmbtr.LMBTR property)</a>
</li>
        <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.mbtr.MBTR.species">(dscribe.descriptors.mbtr.MBTR property)</a>
</li>
        <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.soap.SOAP.species">(dscribe.descriptors.soap.SOAP property)</a>
</li>
      </ul></li>
      <li><a href="doc/dscribe.utils.html#dscribe.utils.species.symbols_to_numbers">symbols_to_numbers() (in module dscribe.utils.species)</a>
</li>
      <li><a href="doc/dscribe.core.html#dscribe.core.system.System">System (class in dscribe.core.system)</a>
</li>
      <li><a href="doc/dscribe.utils.html#dscribe.utils.stats.system_stats">system_stats() (in module dscribe.utils.stats)</a>
</li>
  </ul></td>
</tr></table>

<h2 id="T">T</h2>
<table style="width: 100%" class="indextable genindextable"><tr>
  <td style="width: 33%; vertical-align: top;"><ul>
      <li><a href="doc/dscribe.core.html#dscribe.core.system.System.to_cartesian">to_cartesian() (dscribe.core.system.System method)</a>
</li>
  </ul></td>
  <td style="width: 33%; vertical-align: top;"><ul>
      <li><a href="doc/dscribe.core.html#dscribe.core.system.System.to_scaled">to_scaled() (dscribe.core.system.System method)</a>
</li>
  </ul></td>
</tr></table>

<h2 id="V">V</h2>
<table style="width: 100%" class="indextable genindextable"><tr>
  <td style="width: 33%; vertical-align: top;"><ul>
      <li><a href="doc/dscribe.core.html#dscribe.core.lattice.Lattice.volume">volume() (dscribe.core.lattice.Lattice property)</a>
</li>
  </ul></td>
</tr></table>

<h2 id="Z">Z</h2>
<table style="width: 100%" class="indextable genindextable"><tr>
  <td style="width: 33%; vertical-align: top;"><ul>
      <li><a href="doc/dscribe.descriptors.html#dscribe.descriptors.matrixdescriptor.MatrixDescriptor.zero_pad">zero_pad() (dscribe.descriptors.matrixdescriptor.MatrixDescriptor method)</a>
</li>
  </ul></td>
</tr></table>



           </div>
           
          </div>
          <footer>
  

  <hr/>

  <div role="contentinfo">
    <p>
        &copy; Copyright 

    </p>
  </div>
  Built with <a href="http://sphinx-doc.org/">Sphinx</a> using a <a href="https://github.com/rtfd/sphinx_rtd_theme">theme</a> provided by <a href="https://readthedocs.org">Read the Docs</a>. 

</footer>

        </div>
      </div>

    </section>

  </div>
  
  <div class="rst-versions" data-toggle="rst-versions" role="note" aria-label="versions">
    <span class="rst-current-version" data-toggle="rst-current-version">
      <span class="fa fa-book"> Versions</span>
      v: 0.2.9
      <span class="fa fa-caret-down"></span>
    </span>
    <div class="rst-other-versions">
      <dl>
        <dt>Versions</dt>
        
          <dd><a href="https://singroup.github.io/dscribe/dev">0.3.0a0 (development)</a></dd>
        
          <dd><a href="https://singroup.github.io/dscribe">0.2.9 (latest stable)</a></dd>
        
      </dl>
    </div>
  </div>


  <script type="text/javascript">
      jQuery(function () {
          SphinxRtdTheme.Navigation.enable(true);
      });
  </script>

  
  
    
   

</body>
</html>